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calling common alerts filters can do batch parallelization #28

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@kkovary kkovary commented Nov 14, 2024

Changelogs

Closes #27

  • Added optional batch_size arg to CommonAlertsFilter.__call__ that conditionally uses dm.parallelized_with_batches

Checklist:

  • Was this PR discussed in an issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
  • Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
  • Update the API documentation is a new function is added, or an existing one is deleted.
  • Write concise and explanatory changelogs above.
  • If possible, assign one of the following labels to the PR: feature, fix or test (or ask a maintainer to do it for you).

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CommonAlertsFilters slow when running parallel with large numbers of mols
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